(2S)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(4,5-dimethoxy-2-nitro-benzyl)oxycarbonylamino]-4-methyl-valeric acid Formula: C16H22N2O8 MolecularWeight: 370.35448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)OCC1=CC(=C(C=C1[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)OCC1=CC(=C(C=C1[N+](=O)[O-])OC)OC

InChI

InChI=1S/C16H22N2O8/c1-9(2)5-11(15(19)20)17-16(21)26-8-10-6-13(24-3)14(25-4)7-12(10)18(22)23/h6-7,9,11H,5,8H2,1-4H3,(H,17,21)(H,19,20)/t11-/m0/s1